5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide

C9H13NO2S — CID 144900906

IUPAC5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide
SMILESC=CC1=C(C=C)S(=O)(=O)CCN1C
InChIInChI=1S/C9H13NO2S/c1-4-8-9(5-2)13(11,12)7-6-10(8)3/h4-5H,1-2,6-7H2,3H3
InChIKeyKDYZCGXQTQUEST-UHFFFAOYSA-N
MW199.27 g/mol
LogP0.93
Rot. Bonds2

About 5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide

5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide (PubChem CID 144900906) has the molecular formula C9H13NO2S and a molecular weight of 199.27 g/mol. Its IUPAC name is 5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide.

Molecular Properties

Compound Name5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide
PubChem CID144900906
Molecular FormulaC9H13NO2S
Molecular Weight199.27 g/mol
Exact Mass199.07
IUPAC Name5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide
SMILESC=CC1=C(C=C)S(=O)(=O)CCN1C
InChIInChI=1S/C9H13NO2S/c1-4-8-9(5-2)13(11,12)7-6-10(8)3/h4-5H,1-2,6-7H2,3H3
InChIKeyKDYZCGXQTQUEST-UHFFFAOYSA-N
XLogP0.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide?
The IUPAC name of 5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide (CID 144900906) is 5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide.
What is the SMILES notation for 5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide?
The canonical SMILES for 5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide is C=CC1=C(C=C)S(=O)(=O)CCN1C.
What is the InChIKey of 5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide?
The InChIKey is KDYZCGXQTQUEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-4-8-9(5-2)13(11,12)7-6-10(8)3/h4-5H,1-2,6-7H2,3H3.
What are the key properties of 5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide?
5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide has a molecular weight of 199.27 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1,4-thiazine 1,1-dioxide is sourced from PubChem (CID 144900906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).